SCHEMBL13579593

SCHEMBL13579593

CCOC(=O)C1C[C@H](O)C=C1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TLR4 O00206 1/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CA12 O43570 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13579558 1.00 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL30327397 1.00 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL22855358 0.84 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL23061134 0.83 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL19730161 0.81 CYP3A4 (0.33) HSD17B10TSHRCYP1A2CYP2C19
SCHEMBL10441592 0.74 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1195114 0.72 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL18382542 0.72
SCHEMBL3630275 0.71 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1196448 0.70 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 US disclosed
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 US disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 US disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 US disclosed
EP-2299821-B1 TRICYCLIC COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 US disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 US disclosed
WO-2009152133-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-12-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090312338-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 ALDH1A1 431/4885MAPT 3096/4885MEN1 165/4885
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 ALDH1A1 431/4885MAPT 3096/4885MEN1 165/4885
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 ALDH1A1 431/4885MAPT 3096/4885MEN1 165/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.